A Continuum Dislocation Dynamics Crystal Plasticity Approach to Irradiated Body-Centered Cubic α-Iron

Pitts, Stephanie A.; Jiang, Wen; Pizzocri, Davide; Barker, Erin I.; Zbib, Hussein M.

doi:10.1115/1.4052256

Title: A Continuum Dislocation Dynamics Crystal Plasticity Approach to Irradiated Body-Centered Cubic α-Iron

Journal Article · 15 September 2021 · Journal of Engineering Materials and Technology

DOI: https://doi.org/10.1115/1.4052256 · OSTI ID:1838414

^[1];

^[1]; Pizzocri, Davide ^[2]; Barker, Erin I. ^[3]; Zbib, Hussein M. ^[4]

Idaho National Lab. (INL), Idaho Falls, ID (United States)
Politecnico di Milano (Italy)
Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Washington State Univ., Pullman, WA (United States)

Radiation-induced embrittlement of reactor pressure vessel (RPV) steels can potentially limit the operating life of nuclear power plants. Over extended exposure to radiation doses, these body-centered cubic (BCC) irons demonstrate irradiation damage. Here, we present a continuum dislocation density (CDD) crystal plasticity model to capture the interaction among dislocations and self-interstitial atom (SIA) loops in α-iron. We demonstrate the importance of modeling cross slip using a combined stochastic Monte Carlo approach and the role of slip system strength anisotropy in capturing stochastic cross slip interactions. Through these captured interactions, the CDD crystal plasticity model can capture both the stress response and the physical evolution of dislocations on different slip system planes. Single-crystal verification experiments are used to calibrate the CDD crystal plasticity model, and a set of simplified polycrystalline simulations demonstrates the model’s ability to capture the stress response from tensile experiments on α-iron.

View Accepted Manuscript (DOE)

Cite

Export

Save

Research Organization:: Idaho National Laboratory (INL), Idaho Falls, ID (United States); Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)

Sponsoring Organization:: USDOE Office of Nuclear Energy (NE)

Grant/Contract Number:: AC05-76RL01830; AC07-05ID14517; NE0008827; AC02-06CH11357

OSTI ID:: 1838414

Report Number(s):: PNNL-SA--159287; INL/JOU--21-61409-Rev000

Journal Information:: Journal of Engineering Materials and Technology, Journal Name: Journal of Engineering Materials and Technology Journal Issue: 1 Vol. 144; ISSN 0094-4289; ISSN 1528-8889

Publisher:: ASMECopyright Statement

Country of Publication:: United States

Language:: English

References (38)

Radiation damage concerns for extended light water reactor service Allen, T. R.; Busby, J. T. JOM, Vol. 61, Issue 7 https://doi.org/10.1007/s11837-009-0099-2	journal	July 2009
Overview no. 42 Texture development and strain hardening in rate dependent polycrystals Asaro, R. J.; Needleman, A. Acta Metallurgica, Vol. 33, Issue 6 https://doi.org/10.1016/0001-6160(85)90188-9	journal	June 1985
Simulation of rolling textures of b.c.c. metals considering grain interactions and crystallographic slip on {110}, {112} and {123} planes Raabe, D. Materials Science and Engineering: A, Vol. 197, Issue 1 https://doi.org/10.1016/0921-5093(94)09770-4	journal	June 1995
Radiation hardening revisited: role of intracascade clustering Singh, B. N.; Foreman, A. J. E.; Trinkaus, H. Journal of Nuclear Materials, Vol. 249, Issue 2-3 https://doi.org/10.1016/S0022-3115(97)00231-6	journal	October 1997
3D dislocation dynamics: stress–strain behavior and hardening mechanisms in fcc and bcc metals Zbib, Hussein M.; Dı́az de la Rubia, Tomas; Rhee, Moono Journal of Nuclear Materials, Vol. 276, Issue 1-3 https://doi.org/10.1016/S0022-3115(99)00175-0	journal	January 2000
Modeling the evolution of crystallographic dislocation density in crystal plasticity Arsenlis, Athanasios; Parks, David M. Journal of the Mechanics and Physics of Solids, Vol. 50, Issue 9 https://doi.org/10.1016/S0022-5096(01)00134-X	journal	September 2002
Models for dislocation cross-slip in close-packed crystal structures: a critical review Püschl, W. Progress in Materials Science, Vol. 47, Issue 4 https://doi.org/10.1016/S0079-6425(01)00003-2	journal	January 2002
Mechanical property degradation in irradiated materials: A multiscale modeling approach Wirth, B. D.; Caturla, M. J.; Diaz de la Rubia, T. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 180, Issue 1-4 https://doi.org/10.1016/S0168-583X(01)00392-5	journal	June 2001
Work hardening in heterogeneous alloys—a microstructural approach based on three internal state variables Roters, F.; Raabe, D.; Gottstein, G. Acta Materialia, Vol. 48, Issue 17 https://doi.org/10.1016/S1359-6454(00)00289-5	journal	November 2000
A constitutive model for fcc single crystals based on dislocation densities and its application to uniaxial compression of aluminium single crystals Ma, A.; Roters, F. Acta Materialia, Vol. 52, Issue 12 https://doi.org/10.1016/j.actamat.2004.04.012	journal	July 2004
Discrete dislocation density modelling of single phase FCC polycrystal aggregates Cheong, Ke-Shen; Busso, Esteban P. Acta Materialia, Vol. 52, Issue 19 https://doi.org/10.1016/j.actamat.2004.08.044	journal	November 2004
Overview of constitutive laws, kinematics, homogenization and multiscale methods in crystal plasticity finite-element modeling: Theory, experiments, applications Roters, F.; Eisenlohr, P.; Hantcherli, L. Acta Materialia, Vol. 58, Issue 4 https://doi.org/10.1016/j.actamat.2009.10.058	journal	February 2010
A dislocation dynamics study of the transition from homogeneous to heterogeneous deformation in irradiated body-centered cubic iron Arsenlis, A.; Rhee, M.; Hommes, G. Acta Materialia, Vol. 60, Issue 9 https://doi.org/10.1016/j.actamat.2012.03.041	journal	May 2012
A dislocation density-based single crystal constitutive equation Lee, M. G.; Lim, H.; Adams, B. L. International Journal of Plasticity, Vol. 26, Issue 7 https://doi.org/10.1016/j.ijplas.2009.11.004	journal	July 2010
Predicting plastic flow and irradiation hardening of iron single crystal with mechanism-based continuum dislocation dynamics Li, Dongsheng; Zbib, Hussein; Sun, Xin International Journal of Plasticity, Vol. 52 https://doi.org/10.1016/j.ijplas.2013.01.015	journal	January 2014
Plastic anisotropy of electro-deposited pure α-iron with sharp crystallographic <111>// texture in normal direction: Analysis by an explicitly dislocation-based crystal plasticity model Alankar, Alankar; Field, David P.; Raabe, Dierk International Journal of Plasticity, Vol. 52 https://doi.org/10.1016/j.ijplas.2013.03.006	journal	January 2014
A dislocation-based model for deformation and size effect in multi-phase steels Lyu, Hao; Ruimi, Annie; Zbib, Hussein M. International Journal of Plasticity, Vol. 72 https://doi.org/10.1016/j.ijplas.2015.05.005	journal	September 2015
A polycrystal plasticity model of strain localization in irradiated iron Barton, Nathan R.; Arsenlis, Athanasios; Marian, Jaime Journal of the Mechanics and Physics of Solids, Vol. 61, Issue 2 https://doi.org/10.1016/j.jmps.2012.10.009	journal	February 2013
Observation and analysis of defect cluster production and interactions with dislocations Zinkle, S. J.; Matsukawa, Y. Journal of Nuclear Materials, Vol. 329-333 https://doi.org/10.1016/j.jnucmat.2004.04.298	journal	August 2004
Ferritic/martensitic steels for next-generation reactors Klueh, R. L.; Nelson, A. T. Journal of Nuclear Materials, Vol. 371, Issue 1-3 https://doi.org/10.1016/j.jnucmat.2007.05.005	journal	September 2007
Influence of different chemical elements on irradiation-induced hardening embrittlement of RPV steels Lambrecht, M.; Malerba, L.; Almazouzi, A. Journal of Nuclear Materials, Vol. 378, Issue 3 https://doi.org/10.1016/j.jnucmat.2008.06.030	journal	September 2008
Characterization of neutron-irradiated ferritic model alloys and a RPV steel from combined APT, SANS, TEM and PAS analyses Meslin, E.; Lambrecht, M.; Hernández-Mayoral, M. Journal of Nuclear Materials, Vol. 406, Issue 1 https://doi.org/10.1016/j.jnucmat.2009.12.021	journal	November 2010
On the correlation between irradiation-induced microstructural features and the hardening of reactor pressure vessel steels Lambrecht, M.; Meslin, E.; Malerba, L. Journal of Nuclear Materials, Vol. 406, Issue 1 https://doi.org/10.1016/j.jnucmat.2010.05.020	journal	November 2010
Towards a modelling of RPV steel brittle fracture using crystal plasticity computations on polycrystalline aggregates Vincent, L.; Libert, M.; Marini, B. Journal of Nuclear Materials, Vol. 406, Issue 1 https://doi.org/10.1016/j.jnucmat.2010.07.022	journal	November 2010
Prospects for accelerated development of high performance structural materials Zinkle, Steven J.; Ghoniem, Nasr M. Journal of Nuclear Materials, Vol. 417, Issue 1-3 https://doi.org/10.1016/j.jnucmat.2011.05.021	journal	October 2011
Continuum modeling of localized deformation in irradiated bcc materials Patra, Anirban; McDowell, David L. Journal of Nuclear Materials, Vol. 432, Issue 1-3 https://doi.org/10.1016/j.jnucmat.2012.08.021	journal	January 2013
A multiscale approach to study the effect of chromium and nickel concentration in the hardening of iron alloys Mastorakos, I. N.; Zbib, H. M. Journal of Nuclear Materials, Vol. 449, Issue 1-3 https://doi.org/10.1016/j.jnucmat.2014.03.005	journal	June 2014
Crystal plasticity modeling of irradiation effects on flow stress in pure-iron and iron-copper alloys Chakraborty, Pritam; Bulent Biner, S. Mechanics of Materials, Vol. 101 https://doi.org/10.1016/j.mechmat.2016.07.013	journal	October 2016
MOOSE: Enabling massively parallel multiphysics simulation Permann, Cody J.; Gaston, Derek R.; Andrš, David SoftwareX, Vol. 11 https://doi.org/10.1016/j.softx.2020.100430	journal	January 2020
Multiscale modelling of plastic flow localization in irradiated materials Diaz de la Rubia, Tomas; Zbib, Hussein M.; Khraishi, Tariq A. Nature, Vol. 406, Issue 6798 https://doi.org/10.1038/35022544	journal	August 2000
Numerical modelling of plastic multislip in metal crystals of f.c.c. type Ohashi, Tetsuya Philosophical Magazine A, Vol. 70, Issue 5 https://doi.org/10.1080/01418619408242931	journal	November 1994
Dislocation density-based constitutive model for the mechanical behaviour of irradiated Cu Arsenlis §, A.; Wirth, B. D.; Rhee, M. Philosophical Magazine, Vol. 84, Issue 34 https://doi.org/10.1080/14786430412331293531	journal	December 2004
Work hardening and deformation sub-structure in iron single crystals deformed in tension at 298°k Keh, A. S. Philosophical Magazine, Vol. 12, Issue 115 https://doi.org/10.1080/14786436508224942	journal	July 1965
Problems of plastic gliding Orowan, E. Proceedings of the Physical Society, Vol. 52, Issue 1 https://doi.org/10.1088/0959-5309/52/1/303	journal	January 1940
Models for long-/short-range interactions and cross slip in 3D dislocation simulation of BCC single crystals Rhee, M.; Zbib, H. M.; Hirth, J. P. Modelling and Simulation in Materials Science and Engineering, Vol. 6, Issue 4 https://doi.org/10.1088/0965-0393/6/4/012	journal	July 1998
Crystal Plasticity Asaro, R. J. Journal of Applied Mechanics, Vol. 50, Issue 4b https://doi.org/10.1115/1.3167205	journal	December 1983
Laws for Work-Hardening and Low-Temperature Creep Kocks, U. F. Journal of Engineering Materials and Technology, Vol. 98, Issue 1 https://doi.org/10.1115/1.3443340	journal	January 1976
A Mesoscale Model of Plasticity: Dislocation Dynamics and Patterning (One-Dimensional) Taheri-Nassaj, Nasrin; Zbib, Hussein M. Journal of Engineering Materials and Technology, Vol. 138, Issue 4 https://doi.org/10.1115/1.4033910	journal	July 2016

Similar Records

Effect of elastic fields of dislocations on the equilibrium configurations of self-interstitial atoms in cubic crystals. Part I. BCC iron crystal

Journal Article · 1987 · Sov. At. Energy (Engl. Transl.); (United States) · OSTI ID:5357553

Ivanov, V V; Chernov, V M

Prediction of Plastic Flow by Means of a Continuum Dislocation Approach

Conference · 2001 · OSTI ID:909485

Nguyen, Ba Nghiep; Khaleel, Mohammad A; Zbib, Hussein M

A data driven approach for cross-slip modelling in continuum dislocation dynamics

Journal Article · 2023 · International Journal of Plasticity · OSTI ID:2420637

Vivekanandan, Vignesh; Anglin, Benjamin; El-Azab, Anter

Related Subjects

36 MATERIALS SCIENCE
97 MATHEMATICS AND COMPUTING
BCC alpha iron
Crystal Plasticity Finite Element
Irradiation Damage
constitutive relations
crystal plasticity
microstructure property relationships
plastic behavior
stochastic cross slip

Title: A Continuum Dislocation Dynamics Crystal Plasticity Approach to Irradiated Body-Centered Cubic α-Iron

Citation Formats

References (38)

Similar Records

Related Subjects